1-[3-(diethylamino)propylamino]-5,6-dimethylpyrido[4,3-b]carbazol-9-ol

C24H30N4O — CID 3068872

IUPAC1-[3-(diethylamino)propylamino]-5,6-dimethylpyrido[4,3-b]carbazol-9-ol
SMILESCCN(CC)CCCNc1nccc2c(C)c3c(cc12)c1cc(O)ccc1n3C
InChIInChI=1S/C24H30N4O/c1-5-28(6-2)13-7-11-25-24-21-15-20-19-14-17(29)8-9-22(19)27(4)23(20)16(3)18(21)10-12-26-24/h8-10,12,14-15,29H,5-7,11,13H2,1-4H3,(H,25,26)
InChIKeyOYZBTIPWPWHPIB-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.04
Rot. Bonds7

About 1-[3-(diethylamino)propylamino]-5,6-dimethylpyrido[4,3-b]carbazol-9-ol

1-[3-(diethylamino)propylamino]-5,6-dimethylpyrido[4,3-b]carbazol-9-ol (PubChem CID 3068872) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[3-(diethylamino)propylamino]-5,6-dimethylpyrido[4,3-b]carbazol-9-ol.

Molecular Properties

Compound Name1-[3-(diethylamino)propylamino]-5,6-dimethylpyrido[4,3-b]carbazol-9-ol
PubChem CID3068872
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name1-[3-(diethylamino)propylamino]-5,6-dimethylpyrido[4,3-b]carbazol-9-ol
SMILESCCN(CC)CCCNc1nccc2c(C)c3c(cc12)c1cc(O)ccc1n3C
InChIInChI=1S/C24H30N4O/c1-5-28(6-2)13-7-11-25-24-21-15-20-19-14-17(29)8-9-22(19)27(4)23(20)16(3)18(21)10-12-26-24/h8-10,12,14-15,29H,5-7,11,13H2,1-4H3,(H,25,26)
InChIKeyOYZBTIPWPWHPIB-UHFFFAOYSA-N
XLogP5.04
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propylamino]-5,6-dimethylpyrido[4,3-b]carbazol-9-ol?
The IUPAC name of 1-[3-(diethylamino)propylamino]-5,6-dimethylpyrido[4,3-b]carbazol-9-ol (CID 3068872) is 1-[3-(diethylamino)propylamino]-5,6-dimethylpyrido[4,3-b]carbazol-9-ol.
What is the SMILES notation for 1-[3-(diethylamino)propylamino]-5,6-dimethylpyrido[4,3-b]carbazol-9-ol?
The canonical SMILES for 1-[3-(diethylamino)propylamino]-5,6-dimethylpyrido[4,3-b]carbazol-9-ol is CCN(CC)CCCNc1nccc2c(C)c3c(cc12)c1cc(O)ccc1n3C.
What is the InChIKey of 1-[3-(diethylamino)propylamino]-5,6-dimethylpyrido[4,3-b]carbazol-9-ol?
The InChIKey is OYZBTIPWPWHPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-5-28(6-2)13-7-11-25-24-21-15-20-19-14-17(29)8-9-22(19)27(4)23(20)16(3)18(21)10-12-26-24/h8-10,12,14-15,29H,5-7,11,13H2,1-4H3,(H,25,26).
What are the key properties of 1-[3-(diethylamino)propylamino]-5,6-dimethylpyrido[4,3-b]carbazol-9-ol?
1-[3-(diethylamino)propylamino]-5,6-dimethylpyrido[4,3-b]carbazol-9-ol has a molecular weight of 390.53 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propylamino]-5,6-dimethylpyrido[4,3-b]carbazol-9-ol is sourced from PubChem (CID 3068872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).